LaCrO3
Lanthanum chromite · Lanthanum chromium oxide
Lanthanum chromite is a stable semiconducting ceramic oxide primarily used in high-temperature fuel cell technology and catalytic processes.
About Lanthanum chromite
Lanthanum chromite is a thermodynamically stable oxide that exhibits semiconducting behavior. Its robust structural integrity makes it a vital candidate for demanding environments where chemical and thermal resilience are required for catalytic performance.
This material is widely utilized in advanced energy applications, particularly as an interconnect material in solid oxide fuel cells. Its ability to maintain stability while facilitating electronic transport under harsh operating conditions distinguishes it as a key functional ceramic.
Key Properties
Cross-validated computational properties for Lanthanum chromite, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LaCrO3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for LaCrO3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.37 | 0.0000 | -9.083 | 6.71 |
| Pnma (No. 62) | orthorhombic | 0.71 | 0.0000 | -3.037 | — |
| Pnma (No. 62) | orthorhombic | 0.71 | 0.0000 | -3.037 | — |
| Pnma (No. 62) | orthorhombic | 0.71 | 0.0000 | -3.037 | — |
| — | — | 2.07 | 0.0032 | -3.165 | — |
| R-3c (No. 167) | trigonal | 0.00 | 0.0035 | -9.080 | 6.73 |
| R-3c (No. 167) | trigonal | 0.65 | 0.0050 | -3.032 | — |
| — | — | 2.08 | 0.0104 | -3.158 | — |
| — | — | 1.95 | 0.0109 | -3.157 | — |
| — | — | 2.08 | 0.0116 | -3.156 | — |
| — | — | 1.95 | 0.0244 | -3.144 | — |
| Pm-3m (No. 221) | cubic | 0.15 | 0.0835 | -2.953 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting LaCrO3.
Applications
Where Lanthanum chromite is used.
Frequently Asked Questions
Common questions about Lanthanum chromite, answered from cross-validated data.
What is LaCrO3?
Lanthanum chromite is a stable semiconducting ceramic oxide primarily used in high-temperature fuel cell technology and catalytic processes.
What is LaCrO3 used for?
What is the band gap of LaCrO3?
Is LaCrO3 a metal, semiconductor, or insulator?
Is LaCrO3 thermodynamically stable?
What is the crystal structure of LaCrO3?
What is the density of LaCrO3?
How many polymorphs of LaCrO3 are known?
How is LaCrO3 synthesized?
What elements does LaCrO3 contain?
Where does the data for LaCrO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the broader class of spinel and perovskite-related oxides, LaCrO3 stands out for its superior structural stability compared to more volatile members like LaNiO3. While materials such as ZnO or NiO are often studied for their simpler binary catalytic properties, LaCrO3 offers a more complex, stable framework that is better suited for high-temperature electrochemical applications.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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